2,5-dioxopyrrolidin-1-yl 4-azido-2,3,5,6-tetrafluorobenzoate

• ChemBase编号: 177930
• 分子式: C11H4F4N4O4
• 平均质量: 332.1674728
• 单一同位素质量: 332.01686751
• SMILES: c1(c(c(c(c(c1F)F)C(=O)ON1C(=O)CCC1=O)F)F)N=[N+]=[N-]
• Canonical SMILES: [N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)ON1C(=O)CCC1=O
• InChI: InChI=1S/C11H4F4N4O4/c12-6-5(7(13)9(15)10(8(6)14)17-18-16)11(22)23-19-3(20)1-2-4(19)21/h1-2H2
• InChIKey: HCTLWQSYGIBOFM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,5-dioxopyrrolidin-1-yl 4-azido-2,3,5,6-tetrafluorobenzoate
• IUPAC传统名: 2,5-dioxopyrrolidin-1-yl 4-azido-2,3,5,6-tetrafluorobenzoate
• 别名: 4-Azido-2,3,5,6-tetrafluorobenzoic Acid, N-Succinimidyl Ester, ATFB SE; N-Succinimidyl 4-Azido-2,3,5,6-tetrafluorobenzoate

登记号

• CAS号: 126695-58-7
• PubChem SID: 164233840
• PubChem CID: 2762579

理论计算性质

• Acid pKa: 17.696024
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.077546
• LogD (pH = 7.4): 2.077546
• Log P: 2.1915915
• 摩尔折射率: 65.0212 cm^3
• 极化性: 22.816765 Å^3
• 极化表面积: 93.11 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform; DMF; Ethyl Acetate
• 外观: Off-White Solid
• 熔点: 104-105°C

安全信息

• 保存条件: Amber Vial, -20°C Freezer, Under Inert Atmosphere
• 保存注意事项: Light and Moisture Sensitive. Store in freezer

详细说明

Toronto Research Chemicals - S690150

A fluorinated aryl azide which can be used for the photofunctionalization of polymer surfaces.l max = 273nm; e= 23 x 10-3

参考文献

• Keana, J.F.W., and Cai, S.X.: J. Org. Chem., 55, 3640-3647 (1990)